N-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide

C12H21N3O2S — CID 62200287

IUPACN-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1ccc(NC)nc1
InChIInChI=1S/C12H21N3O2S/c1-4-5-6-10(2)15-18(16,17)11-7-8-12(13-3)14-9-11/h7-10,15H,4-6H2,1-3H3,(H,13,14)
InChIKeyYTHLUWFVKCAVHN-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.98
Rot. Bonds7

About N-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide

N-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 62200287) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide
PubChem CID62200287
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1ccc(NC)nc1
InChIInChI=1S/C12H21N3O2S/c1-4-5-6-10(2)15-18(16,17)11-7-8-12(13-3)14-9-11/h7-10,15H,4-6H2,1-3H3,(H,13,14)
InChIKeyYTHLUWFVKCAVHN-UHFFFAOYSA-N
XLogP1.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(methylamino)-N-pentan-2-ylpyridine-3-sulfonamide
CID 55044216
N-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide
CID 55043089
4-bromo-N-hexan-2-ylbenzenesulfonamide
CID 55050164
6-hydrazinyl-N-octan-4-ylpyridine-3-sulfonamide
CID 106025657
5-(heptan-2-ylsulfamoyl)pyridine-2-carbothioamide
CID 114614258
4-(ethylamino)-N-hexan-2-ylbenzenesulfonamide
CID 62200099
N-[1-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62147836
2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
CID 62152785
4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide
CID 62199697
4-amino-N-octan-2-ylbenzenesulfonamide
CID 61476612
2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide
CID 61051308
6-[(2-methoxyphenyl)methylamino]-N-pentan-2-ylpyridine-3-sulfonamide
CID 55986852

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide (CID 62200287) is N-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide is CCCCC(C)NS(=O)(=O)c1ccc(NC)nc1.
What is the InChIKey of N-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is YTHLUWFVKCAVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-5-6-10(2)15-18(16,17)11-7-8-12(13-3)14-9-11/h7-10,15H,4-6H2,1-3H3,(H,13,14).
What are the key properties of N-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide?
N-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62200287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).